3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

C14H26N4O2 — CID 80992471

IUPAC3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCc1nc(NCC)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-11-17-12(15-6-2)10(3)13(18-11)16-8-14(4,20)9-19/h19-20H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXEUWQTRRORWODV-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.32
Rot. Bonds8

About 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (PubChem CID 80992471) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
PubChem CID80992471
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCc1nc(NCC)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-11-17-12(15-6-2)10(3)13(18-11)16-8-14(4,20)9-19/h19-20H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXEUWQTRRORWODV-UHFFFAOYSA-N
XLogP1.32
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 114944722
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851169
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (CID 80992471) is 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is CCCc1nc(NCC)c(C)c(NCC(C)(O)CO)n1.
What is the InChIKey of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The InChIKey is XEUWQTRRORWODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-7-11-17-12(15-6-2)10(3)13(18-11)16-8-14(4,20)9-19/h19-20H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol has a molecular weight of 282.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80992471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).